5-hydroxypyrrolidine-2,3-dione

C4H5NO3 — CID 12946999

IUPAC5-hydroxypyrrolidine-2,3-dione
SMILESO=C1CC(O)NC1=O
InChIInChI=1S/C4H5NO3/c6-2-1-3(7)5-4(2)8/h3,7H,1H2,(H,5,8)
InChIKeyWRWBXCNTPFWLGA-UHFFFAOYSA-N
MW115.09 g/mol
LogP-1.61
Rot. Bonds

About 5-hydroxypyrrolidine-2,3-dione

5-hydroxypyrrolidine-2,3-dione (PubChem CID 12946999) has the molecular formula C4H5NO3 and a molecular weight of 115.09 g/mol. Its IUPAC name is 5-hydroxypyrrolidine-2,3-dione.

Molecular Properties

Compound Name5-hydroxypyrrolidine-2,3-dione
PubChem CID12946999
Molecular FormulaC4H5NO3
Molecular Weight115.09 g/mol
Exact Mass115.03
IUPAC Name5-hydroxypyrrolidine-2,3-dione
SMILESO=C1CC(O)NC1=O
InChIInChI=1S/C4H5NO3/c6-2-1-3(7)5-4(2)8/h3,7H,1H2,(H,5,8)
InChIKeyWRWBXCNTPFWLGA-UHFFFAOYSA-N
XLogP-1.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.09
LogP ≤ 5-1.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(R)-5-Hydroxy-2-pyrrolidinone
CID 178119
5-Hydroxy-2-pyrrolidone
CID 194148
(5S)-5-hydroxypyrrolidin-2-one
CID 86309954
(5S)-4,5-dihydroxypyrrolidine-2,3-dione
CID 91599463
5-Hydroxypyrrolidin-1-ium-2-one
CID 144093238
5-Hydroxypyrrolidin-2-one;hydrate
CID 144103359
N-ethyl-4-hydroxy-2-oxobutanamide
CID 173138362
5-Hydroxypyrrolidine-2,4-dione
CID 173221554
2-Hydroxy-4,5-dioxopyrrolidine-3-carbaldehyde
CID 45083487

Frequently Asked Questions

What is the IUPAC name of 5-hydroxypyrrolidine-2,3-dione?
The IUPAC name of 5-hydroxypyrrolidine-2,3-dione (CID 12946999) is 5-hydroxypyrrolidine-2,3-dione.
What is the SMILES notation for 5-hydroxypyrrolidine-2,3-dione?
The canonical SMILES for 5-hydroxypyrrolidine-2,3-dione is O=C1CC(O)NC1=O.
What is the InChIKey of 5-hydroxypyrrolidine-2,3-dione?
The InChIKey is WRWBXCNTPFWLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO3/c6-2-1-3(7)5-4(2)8/h3,7H,1H2,(H,5,8).
What are the key properties of 5-hydroxypyrrolidine-2,3-dione?
5-hydroxypyrrolidine-2,3-dione has a molecular weight of 115.09 g/mol, XLogP of -1.61, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxypyrrolidine-2,3-dione is sourced from PubChem (CID 12946999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).